
 CHEMBL3774395

568570  0  0  0  0  0  0  0  0999 V2000
   36.9345    7.6118   32.7136 C   0  0  0  0  0
   38.2720    7.5627   31.9927 C   0  0  0  0  0
   39.0188    8.8921   32.1017 C   0  0  0  0  0
   40.3603    8.8353   31.3703 C   0  0  0  0  0
   41.1124   10.1595   31.4775 C   0  0  0  0  0
   42.4109   10.0923   30.7106 C   0  0  0  0  0
   43.3892    9.5083   31.1841 O   0  0  0  0  0
   42.5368   10.6085   29.4611 N   0  0  0  0  0
   41.6642   11.4544   28.6274 C   0  0  0  0  0
   40.2457   10.9306   28.4395 C   0  0  0  0  0
   39.6995   11.4611   27.1461 C   0  0  0  0  0
   39.4680   12.6294   26.8832 O   0  0  0  0  0
   39.4944   10.4952   26.2320 O   0  0  0  0  0
   41.6710   12.8892   29.1844 C   0  0  0  0  0
   41.0782   13.1718   30.2307 O   0  0  0  0  0
   42.3845   13.8840   28.5895 N   0  0  0  0  0
   43.2618   13.9227   27.4191 C   0  0  0  0  0
   44.4739   12.9797   27.5445 C   0  0  0  0  0
   45.6475   13.3510   26.6081 C   0  0  0  0  0
   46.3178   14.6713   26.9996 C   0  0  0  0  0
   46.6927   12.2317   26.6223 C   0  0  0  0  0
   42.4777   13.7288   26.1053 C   0  0  0  0  0
   42.3338   12.6048   25.6095 O   0  0  0  0  0
   41.9182   14.7585   25.4178 N   0  0  0  0  0
   41.5819   16.1582   25.7322 C   0  0  0  0  0
   40.1913   16.4101   26.3627 C   0  0  0  0  0
   40.0090   16.0399   27.8213 C   0  0  0  0  0
   39.8147   17.7904   26.2189 O   0  0  0  0  0
   42.7214   17.0007   26.3282 C   0  0  0  0  0
   42.9379   17.0489   27.5424 O   0  0  0  0  0
   43.6394   17.6255   25.5334 N   0  0  0  0  0
   43.6224   18.0041   24.1082 C   0  0  0  0  0
   43.5429   16.8427   23.1033 C   0  0  0  0  0
   43.8375   17.2822   21.6844 C   0  0  0  0  0
   45.1541   17.3283   21.2084 C   0  0  0  0  0
   45.4225   17.7658   19.9098 C   0  0  0  0  0
   44.3795   18.1600   19.0744 C   0  0  0  0  0
   43.0662   18.1150   19.5358 C   0  0  0  0  0
   42.7953   17.6801   20.8343 C   0  0  0  0  0
   42.5095   19.0483   23.8996 C   0  0  0  0  0
   41.3154   18.7266   23.9559 O   0  0  0  0  0
   42.7845   20.3682   23.7320 N   0  0  0  0  0
   44.0268   21.1528   23.8023 C   0  0  0  0  0
   44.7170   21.1118   25.1784 C   0  0  0  0  0
   45.7778   22.1592   25.2828 C   0  0  0  0  0
   45.7444   23.4782   25.6792 C   0  0  0  0  0
   46.9754   24.0630   25.5275 N   0  0  0  0  0
   47.7568   23.1177   25.0601 C   0  0  0  0  0
   47.0802   21.9434   24.8976 N   0  0  0  0  0
   45.0086   20.7982   22.6679 C   0  0  0  0  0
   45.9334   19.9968   22.8512 O   0  0  0  0  0
   44.8902   21.3303   21.4243 N   0  0  0  0  0
   44.0608   22.4175   20.8859 C   0  0  0  0  0
   42.5712   22.0424   20.8283 C   0  0  0  0  0
   41.7327   22.9321   19.8846 C   0  0  0  0  0
   42.0783   22.7077   18.4112 C   0  0  0  0  0
   40.2425   22.6550   20.1051 C   0  0  0  0  0
   44.3197   23.7344   21.6539 C   0  0  0  0  0
   43.4854   24.1853   22.4474 O   0  0  0  0  0
   45.4834   24.4266   21.5530 N   0  0  0  0  0
   46.6186   24.3711   20.6204 C   0  0  0  0  0
   47.3953   23.0465   20.6651 C   0  0  0  0  0
   48.8584   23.1766   20.1876 C   0  0  0  0  0
   49.7459   23.8431   21.2419 C   0  0  0  0  0
   49.4235   21.7921   19.8567 C   0  0  0  0  0
   46.1215   24.7206   19.2035 C   0  0  0  0  0
   45.8114   23.8345   18.3997 O   0  0  0  0  0
   45.8912   26.0014   18.8087 N   0  0  0  0  0
   46.2948   27.3073   19.3558 C   0  0  0  0  0
   45.7645   27.5823   20.7700 C   0  0  0  0  0
   45.7920   29.0769   21.1131 C   0  0  0  0  0
   45.3448   29.3204   22.5546 C   0  0  0  0  0
   45.4370   30.7278   22.8908 N   0  0  0  0  0
   44.5594   31.6776   22.5043 C   0  0  0  0  0
   43.3944   31.5375   21.9946 N   0  0  0  0  0
   45.0327   32.9154   22.7420 N   0  0  0  0  0
   47.8284   27.4377   19.2650 C   0  0  0  0  0
   48.5514   27.1096   20.2129 O   0  0  0  0  0
   48.4660   27.7921   18.1187 N   0  0  0  0  0
   48.0139   28.3806   16.8477 C   0  0  0  0  0
   46.9363   27.5591   16.1358 C   0  0  0  0  0
   46.8713   27.8207   14.6332 C   0  0  0  0  0
   45.7493   27.0501   13.9938 C   0  0  0  0  0
   44.9584   26.3061   14.5472 O   0  0  0  0  0
   45.6741   27.2805   12.6693 O   0  0  0  0  0
   47.5761   29.8447   17.0675 C   0  0  0  0  0
   46.7910   30.1382   17.9750 O   0  0  0  0  0
   47.9446   30.8525   16.2276 N   0  0  0  0  0
   49.2013   31.0995   15.4912 C   0  0  0  0  0
   50.4126   31.4084   16.4133 C   0  0  0  0  0
   50.8538   30.2901   17.3547 C   0  0  0  0  0
   51.6150   31.8979   15.5950 C   0  0  0  0  0
   49.4755   30.0998   14.3489 C   0  0  0  0  0
   50.1667   29.0921   14.5198 O   0  0  0  0  0
   48.8862   30.2249   13.1282 N   0  0  0  0  0
   48.1985   31.3448   12.4610 C   0  0  0  0  0
   46.9125   31.7980   13.1759 C   0  0  0  0  0
   45.9260   32.5396   12.2468 C   0  0  0  0  0
   45.1988   31.5781   11.3026 C   0  0  0  0  0
   44.8935   33.3009   13.0832 C   0  0  0  0  0
   49.2058   32.4955   12.2493 C   0  0  0  0  0
   49.2622   33.4494   13.0333 O   0  0  0  0  0
   50.1599   32.4641   11.2799 N   0  0  0  0  0
   50.3150   31.6842   10.0426 C   0  0  0  0  0
   50.2994   30.1655   10.2201 C   0  0  0  0  0
   50.9200   29.4383    9.0233 C   0  0  0  0  0
   50.8223   27.9469    9.1945 C   0  0  0  0  0
   50.2869   27.3452   10.1097 O   0  0  0  0  0
   51.4046   27.2822    8.1790 O   0  0  0  0  0
   49.2578   32.1617    9.0318 C   0  0  0  0  0
   48.0822   31.7942    9.1260 O   0  0  0  0  0
   49.5414   33.0718    8.0632 N   0  0  0  0  0
   50.7736   33.7755    7.6718 C   0  0  0  0  0
   51.3963   34.5902    8.8153 C   0  0  0  0  0
   52.3269   35.6892    8.2881 C   0  0  0  0  0
   52.9474   36.4857    9.4360 C   0  0  0  0  0
   53.8632   37.5839    8.9203 C   0  0  0  0  0
   51.7592   32.7766    7.0347 C   0  0  0  0  0
   52.5584   32.1366    7.7265 O   0  0  0  0  0
   51.7115   32.4499    5.7162 N   0  0  0  0  0
   51.0195   33.0379    4.5635 C   0  0  0  0  0
   49.5033   33.1029    4.6912 C   0  0  0  0  0
   51.6351   34.4093    4.2358 C   0  0  0  0  0
   51.3448   35.4119    4.8969 O   0  0  0  0  0
   52.5980   34.5610    3.2884 N   0  0  0  0  0
   53.2476   33.6242    2.3567 C   0  0  0  0  0
   53.9679   32.4773    3.0814 C   0  0  0  0  0
   55.0865   31.8804    2.2207 C   0  0  0  0  0
   55.7743   30.7191    2.9386 C   0  0  0  0  0
   56.9183   30.2463    2.1756 N   0  0  0  0  0
   58.1085   30.8882    2.2178 C   0  0  0  0  0
   58.3962   31.8605    3.0005 N   0  0  0  0  0
   58.9811   30.3635    1.3354 N   0  0  0  0  0
   52.2280   33.1384    1.3077 C   0  0  0  0  0
   51.6593   32.0473    1.4238 O   0  0  0  0  0
   51.8179   33.9315    0.2797 N   0  0  0  0  0
   52.3958   35.1319   -0.3425 C   0  0  0  0  0
   52.6385   36.3072    0.5925 C   0  0  0  0  0
   53.6689   34.7610   -1.1312 C   0  0  0  0  0
   54.4756   33.9372   -0.6883 O   0  0  0  0  0
   54.0048   35.3860   -2.2980 N   0  0  0  0  0
   53.1622   36.0703   -3.2946 C   0  0  0  0  0
   52.0496   35.1567   -3.8309 C   0  0  0  0  0
   51.3898   35.7294   -5.0888 C   0  0  0  0  0
   50.2980   34.8238   -5.5892 C   0  0  0  0  0
   49.9994   33.7228   -5.1603 O   0  0  0  0  0
   49.6386   35.3587   -6.6341 O   0  0  0  0  0
   52.6409   37.4067   -2.7456 C   0  0  0  0  0
   51.4965   37.5082   -2.2925 O   0  0  0  0  0
   53.4402   38.5013   -2.6274 N   0  0  0  0  0
   54.6564   38.9216   -3.3407 C   0  0  0  0  0
   55.8598   37.9759   -3.2205 C   0  0  0  0  0
   57.1479   38.6594   -3.6915 C   0  0  0  0  0
   58.3917   37.8216   -3.5060 C   0  0  0  0  0
   59.4096   38.2554   -2.9777 O   0  0  0  0  0
   58.3528   36.5653   -4.0293 N   0  0  0  0  0
   54.2797   39.1993   -4.8123 C   0  0  0  0  0
   54.0694   38.2623   -5.5910 O   0  0  0  0  0
   54.1068   40.4629   -5.2928 N   0  0  0  0  0
   54.0773   41.7828   -4.6247 C   0  0  0  0  0
   53.6943   42.8730   -5.6381 C   0  0  0  0  0
   52.9604   41.8199   -3.5568 C   0  0  0  0  0
   55.4482   42.1017   -3.9641 C   0  0  0  0  0
   55.4949   42.4261   -2.7685 O   0  0  0  0  0
   56.6620   42.0078   -4.5587 N   0  0  0  0  0
   57.1996   42.0809   -5.9258 C   0  0  0  0  0
   56.5829   41.2097   -7.0045 C   0  0  0  0  0
   57.2917   43.5604   -6.3390 C   0  0  0  0  0
   56.2915   44.2836   -6.3335 O   0  0  0  0  0
   58.4646   44.1420   -6.7062 N   0  0  0  0  0
   59.8665   43.7042   -6.6661 C   0  0  0  0  0
   60.3271   43.3384   -5.2471 C   0  0  0  0  0
   61.8389   43.1327   -5.1643 C   0  0  0  0  0
   62.2628   42.7648   -3.7620 C   0  0  0  0  0
   62.9041   43.5198   -3.0420 O   0  0  0  0  0
   61.8765   41.5306   -3.3359 N   0  0  0  0  0
   60.1389   42.5795   -7.6906 C   0  0  0  0  0
   59.9759   41.3906   -7.3977 O   0  0  0  0  0
   60.5286   42.8569   -8.9682 N   0  0  0  0  0
   60.6062   44.1331   -9.7018 C   0  0  0  0  0
   59.2190   44.7658   -9.9121 C   0  0  0  0  0
   59.1733   45.9615  -10.8699 C   0  0  0  0  0
   59.3238   47.2980  -10.1571 C   0  0  0  0  0
   59.1162   47.4427   -8.9564 O   0  0  0  0  0
   59.6879   48.3193  -11.0105 N   0  0  0  0  0
   60.2998   49.5378  -10.5119 C   0  0  0  0  0
   61.8156   49.4462  -10.6911 C   0  0  0  0  0
   62.5640   50.6465  -10.1181 C   0  0  0  0  0
   64.0444   50.6590  -10.5289 C   0  0  0  0  0
   64.8921   49.5441   -9.9198 C   0  0  0  0  0
   66.2104   49.4427  -10.5516 N   0  0  0  0  0
   66.9515   48.3345  -10.8584 C   0  0  0  0  0
   68.1466   48.5437  -11.0933 O   0  0  0  0  0
   66.3021   46.9220  -11.0678 C   0  0  0  0  0
   65.5437   46.5018   -9.8758 N   0  0  0  0  0
   64.7404   45.3839   -9.8034 C   0  0  0  0  0
   64.5858   44.5850  -10.7275 O   0  0  0  0  0
   64.0558   45.1753   -8.4333 C   0  0  0  0  0
   62.8274   44.4020   -8.6347 N   0  0  0  0  0
   61.7351   45.0565   -9.1820 C   0  0  0  0  0
   61.7609   46.2643   -9.3898 O   0  0  0  0  0
   65.0089   44.4602   -7.4881 C   0  0  0  0  0
   67.4303   45.9075  -11.3307 C   0  0  0  0  0
   65.4121   47.0233  -12.3207 C   0  0  0  0  0
   65.1522   49.5097   -8.3987 C   0  0  0  0  0
   65.1813   48.3966   -7.8422 O   0  0  0  0  0
   65.5560   50.5290   -7.6101 N   0  0  0  0  0
   65.7178   51.9934   -7.7062 C   0  0  0  0  0
   66.6394   52.4800   -8.8167 C   0  0  0  0  0
   66.7753   53.9837   -8.9203 C   0  0  0  0  0
   66.7192   54.5702   -9.9977 O   0  0  0  0  0
   67.0887   54.6731   -7.7927 N   0  0  0  0  0
   64.3418   52.6733   -7.6231 C   0  0  0  0  0
   63.7805   53.1376   -8.6163 O   0  0  0  0  0
   63.6350   52.7094   -6.4522 N   0  0  0  0  0
   64.1045   52.8043   -5.0586 C   0  0  0  0  0
   64.8679   51.5858   -4.5219 C   0  0  0  0  0
   64.8922   51.5812   -2.9868 C   0  0  0  0  0
   65.7080   50.4170   -2.4258 C   0  0  0  0  0
   65.7132   50.4919   -0.9771 N   0  0  0  0  0
   66.4448   49.6780   -0.1855 C   0  0  0  0  0
   67.4167   48.9100   -0.5035 N   0  0  0  0  0
   66.0540   49.7555    1.0999 N   0  0  0  0  0
   64.9087   54.1135   -4.9618 C   0  0  0  0  0
   66.1075   54.1403   -5.2693 O   0  0  0  0  0
   64.3106   55.3119   -4.7220 N   0  0  0  0  0
   63.0372   55.6483   -4.0673 C   0  0  0  0  0
   61.7757   55.1324   -4.7718 C   0  0  0  0  0
   60.5439   55.9580   -4.3738 C   0  0  0  0  0
   59.2727   55.4414   -5.0495 C   0  0  0  0  0
   58.0638   56.2935   -4.6636 C   0  0  0  0  0
   56.8582   55.7782   -5.3002 N   0  0  0  0  0
   63.1610   55.1914   -2.6026 C   0  0  0  0  0
   62.8952   54.0323   -2.2726 O   0  0  0  0  0
   63.7317   55.9846   -1.6525 N   0  0  0  0  0
   63.9285   57.4421   -1.5939 C   0  0  0  0  0
   64.8671   58.0041   -2.6760 C   0  0  0  0  0
   65.5402   59.3337   -2.2668 C   0  0  0  0  0
   66.6846   59.1118   -1.2736 C   0  0  0  0  0
   66.0853   60.0494   -3.5065 C   0  0  0  0  0
   62.5233   58.0748   -1.5905 C   0  0  0  0  0
   61.9713   58.4154   -2.6414 O   0  0  0  0  0
   61.7625   58.1253   -0.4576 N   0  0  0  0  0
   62.1602   58.1691    0.9581 C   0  0  0  0  0
   62.8669   56.9075    1.4701 C   0  0  0  0  0
   62.7873   56.7909    2.9983 C   0  0  0  0  0
   63.5028   55.5311    3.4886 C   0  0  0  0  0
   63.4111   55.3859    4.9988 C   0  0  0  0  0
   62.9754   59.4629    1.1268 C   0  0  0  0  0
   64.2014   59.4681    1.0200 O   0  0  0  0  0
   62.3592   60.6784    1.2219 N   0  0  0  0  0
   61.0470   61.0361    1.7821 C   0  0  0  0  0
   59.8378   60.5195    0.9894 C   0  0  0  0  0
   58.5446   61.2405    1.3772 C   0  0  0  0  0
   57.4100   60.7466    0.5245 C   0  0  0  0  0
   57.2906   60.9202   -0.6766 O   0  0  0  0  0
   56.5125   60.0194    1.2122 O   0  0  0  0  0
   61.0659   60.6168    3.2631 C   0  0  0  0  0
   60.3649   59.6853    3.6691 O   0  0  0  0  0
   61.9919   61.1132    4.1368 N   0  0  0  0  0
   62.4182   62.5043    4.4480 C   0  0  0  0  0
   63.8477   62.5105    4.9952 C   0  0  0  0  0
   62.4485   63.4759    3.2525 C   0  0  0  0  0
   61.3607   63.0076    5.4670 C   0  0  0  0  0
   60.4510   63.7609    5.0866 O   0  0  0  0  0
   61.2263   62.5960    6.7498 N   0  0  0  0  0
   62.0010   61.8813    7.7889 C   0  0  0  0  0
   62.0636   60.3212    7.7577 C   0  0  0  0  0
   63.2771   59.6712    7.0861 C   0  0  0  0  0
   61.9615   59.8140    9.2305 C   0  0  0  0  0
   61.9638   58.3029    9.4067 C   0  0  0  0  0
   63.2353   62.6648    8.2822 C   0  0  0  0  0
   64.3624   62.2010    8.4101 O   0  0  0  0  0
   62.9832   63.9542    8.6809 N   0  0  0  0  0
   36.4213    6.6491   32.6255 H   0  0  0  0  0
   36.2860    8.3827   32.2855 H   0  0  0  0  0
   37.0700    7.8282   33.7782 H   0  0  0  0  0
   38.1024    7.3163   30.9380 H   0  0  0  0  0
   38.8812    6.7576   32.4199 H   0  0  0  0  0
   39.1858    9.1350   33.1581 H   0  0  0  0  0
   38.4030    9.6951   31.6781 H   0  0  0  0  0
   40.1964    8.5771   30.3185 H   0  0  0  0  0
   40.9760    8.0304   31.7915 H   0  0  0  0  0
   41.3608   10.3701   32.5251 H   0  0  0  0  0
   40.4908   10.9888   31.1470 H   0  0  0  0  0
   43.4846   10.4882   29.1243 H   0  0  0  0  0
   42.1498   11.4370   27.6553 H   0  0  0  0  0
   39.5503   11.2254   29.2304 H   0  0  0  0  0
   40.2441    9.8361   28.3923 H   0  0  0  0  0
   39.2111   10.9771   25.4269 H   0  0  0  0  0
   42.3025   14.7609   29.0961 H   0  0  0  0  0
   43.6652   14.9269   27.4193 H   0  0  0  0  0
   44.1787   11.9491   27.3244 H   0  0  0  0  0
   44.8326   12.9821   28.5824 H   0  0  0  0  0
   45.2735   13.4452   25.5816 H   0  0  0  0  0
   46.6430   14.6565   28.0453 H   0  0  0  0  0
   45.6457   15.5230   26.8645 H   0  0  0  0  0
   47.1983   14.8593   26.3758 H   0  0  0  0  0
   47.1065   12.0871   27.6258 H   0  0  0  0  0
   47.5207   12.4638   25.9438 H   0  0  0  0  0
   46.2523   11.2837   26.2956 H   0  0  0  0  0
   41.4045   14.3833   24.6285 H   0  0  0  0  0
   41.4383   16.5542   24.7301 H   0  0  0  0  0
   39.4520   15.8389   25.7868 H   0  0  0  0  0
   40.6974   16.5801   28.4757 H   0  0  0  0  0
   40.1232   14.9681   27.9730 H   0  0  0  0  0
   39.0011   16.3141   28.1546 H   0  0  0  0  0
   40.0290   18.0930   25.3114 H   0  0  0  0  0
   44.3175   18.1139   26.1069 H   0  0  0  0  0
   44.5913   18.4754   23.9683 H   0  0  0  0  0
   42.5641   16.3571   23.0946 H   0  0  0  0  0
   44.2561   16.0582   23.3892 H   0  0  0  0  0
   45.9839   17.0374   21.8491 H   0  0  0  0  0
   46.4483   17.7996   19.5511 H   0  0  0  0  0
   44.5895   18.4982   18.0627 H   0  0  0  0  0
   42.2508   18.4200   18.8845 H   0  0  0  0  0
   41.7620   17.6569   21.1765 H   0  0  0  0  0
   41.9331   20.9177   23.6822 H   0  0  0  0  0
   43.6962   22.1798   23.6561 H   0  0  0  0  0
   45.1616   20.1320   25.3786 H   0  0  0  0  0
   43.9720   21.2784   25.9668 H   0  0  0  0  0
   44.8967   24.0449   26.0445 H   0  0  0  0  0
   48.8056   23.2230   24.8160 H   0  0  0  0  0
   47.4563   21.0866   24.5084 H   0  0  0  0  0
   45.5232   20.8934   20.7648 H   0  0  0  0  0
   44.4185   22.5485   19.8662 H   0  0  0  0  0
   42.1353   22.1099   21.8292 H   0  0  0  0  0
   42.4673   20.9955   20.5171 H   0  0  0  0  0
   41.9135   23.9869   20.1241 H   0  0  0  0  0
   41.9719   21.6533   18.1344 H   0  0  0  0  0
   43.1022   23.0171   18.1857 H   0  0  0  0  0
   41.4163   23.2941   17.7646 H   0  0  0  0  0
   39.9948   21.6118   19.8809 H   0  0  0  0  0
   39.6279   23.2958   19.4641 H   0  0  0  0  0
   39.9589   22.8558   21.1437 H   0  0  0  0  0
   45.5011   25.1935   22.2147 H   0  0  0  0  0
   47.2865   25.1610   20.9575 H   0  0  0  0  0
   46.8997   22.3091   20.0269 H   0  0  0  0  0
   47.3914   22.6440   21.6855 H   0  0  0  0  0
   48.8889   23.7798   19.2719 H   0  0  0  0  0
   49.7617   23.2624   22.1706 H   0  0  0  0  0
   49.4036   24.8521   21.4840 H   0  0  0  0  0
   50.7769   23.9256   20.8810 H   0  0  0  0  0
   49.4066   21.1357   20.7335 H   0  0  0  0  0
   50.4589   21.8670   19.5077 H   0  0  0  0  0
   48.8401   21.3131   19.0631 H   0  0  0  0  0
   45.5087   26.0174   17.8697 H   0  0  0  0  0
   45.8311   28.0392   18.6935 H   0  0  0  0  0
   46.3584   27.0562   21.5221 H   0  0  0  0  0
   44.7328   27.2189   20.8547 H   0  0  0  0  0
   45.1410   29.6251   20.4213 H   0  0  0  0  0
   46.8051   29.4748   20.9755 H   0  0  0  0  0
   45.9976   28.7656   23.2390 H   0  0  0  0  0
   44.3290   28.9447   22.7204 H   0  0  0  0  0
   46.3924   31.0697   22.8969 H   0  0  0  0  0
   43.1836   30.5438   21.8978 H   0  0  0  0  0
   45.3819   33.0187   23.6857 H   0  0  0  0  0
   44.2919   33.5877   22.5659 H   0  0  0  0  0
   49.4697   27.8002   18.2605 H   0  0  0  0  0
   48.9140   28.3587   16.2436 H   0  0  0  0  0
   45.9497   27.7760   16.5583 H   0  0  0  0  0
   47.1269   26.4895   16.2902 H   0  0  0  0  0
   47.8098   27.5185   14.1579 H   0  0  0  0  0
   46.6868   28.8804   14.4495 H   0  0  0  0  0
   44.9204   26.7302   12.3691 H   0  0  0  0  0
   47.5043   31.7103   16.5452 H   0  0  0  0  0
   49.0049   32.0553   15.0030 H   0  0  0  0  0
   50.1120   32.2473   17.0577 H   0  0  0  0  0
   51.1006   29.3683   16.8228 H   0  0  0  0  0
   50.0823   30.0767   18.0975 H   0  0  0  0  0
   51.7460   30.5909   17.9157 H   0  0  0  0  0
   52.0314   31.1018   14.9696 H   0  0  0  0  0
   52.4129   32.2527   16.2565 H   0  0  0  0  0
   51.3333   32.7325   14.9448 H   0  0  0  0  0
   49.1348   29.4452   12.5293 H   0  0  0  0  0
   47.9152   30.9534   11.4854 H   0  0  0  0  0
   47.1564   32.4612   14.0116 H   0  0  0  0  0
   46.4002   30.9319   13.6092 H   0  0  0  0  0
   46.4758   33.2730   11.6442 H   0  0  0  0  0
   44.6317   30.8264   11.8627 H   0  0  0  0  0
   45.8933   31.0509   10.6438 H   0  0  0  0  0
   44.4945   32.1229   10.6647 H   0  0  0  0  0
   44.3171   32.6205   13.7194 H   0  0  0  0  0
   44.1912   33.8404   12.4387 H   0  0  0  0  0
   45.3829   34.0372   13.7295 H   0  0  0  0  0
   50.7251   33.3038   11.3275 H   0  0  0  0  0
   51.3102   31.9469    9.6943 H   0  0  0  0  0
   49.2788   29.7929   10.3479 H   0  0  0  0  0
   50.8617   29.8943   11.1222 H   0  0  0  0  0
   51.9785   29.7042    8.9346 H   0  0  0  0  0
   50.3989   29.7096    8.0991 H   0  0  0  0  0
   51.2798   26.3368    8.4064 H   0  0  0  0  0
   48.7144   33.3034    7.5254 H   0  0  0  0  0
   50.4499   34.4904    6.9171 H   0  0  0  0  0
   51.9719   33.9547    9.4942 H   0  0  0  0  0
   50.5997   35.0558    9.4094 H   0  0  0  0  0
   51.7621   36.3678    7.6374 H   0  0  0  0  0
   53.1226   35.2432    7.6797 H   0  0  0  0  0
   53.5208   35.8155   10.0871 H   0  0  0  0  0
   52.1567   36.9346   10.0483 H   0  0  0  0  0
   54.6837   37.1650    8.3291 H   0  0  0  0  0
   54.2967   38.1400    9.7574 H   0  0  0  0  0
   53.3123   38.2909    8.2917 H   0  0  0  0  0
   52.4207   31.7618    5.4927 H   0  0  0  0  0
   51.2180   32.3454    3.7486 H   0  0  0  0  0
   49.1586   33.9200    5.3280 H   0  0  0  0  0
   49.0990   32.1638    5.0827 H   0  0  0  0  0
   49.0562   33.2793    3.7059 H   0  0  0  0  0
   52.9408   35.5140    3.2674 H   0  0  0  0  0
   54.0124   34.2133    1.8452 H   0  0  0  0  0
   53.2745   31.6763    3.3548 H   0  0  0  0  0
   54.4072   32.8518    4.0150 H   0  0  0  0  0
   55.8167   32.6635    1.9832 H   0  0  0  0  0
   54.6817   31.5281    1.2640 H   0  0  0  0  0
   55.0671   29.8890    3.0487 H   0  0  0  0  0
   56.0794   31.0065    3.9517 H   0  0  0  0  0
   56.6711   29.9212    1.2486 H   0  0  0  0  0
   59.3493   32.1769    2.8231 H   0  0  0  0  0
   58.8923   29.3569    1.2589 H   0  0  0  0  0
   59.9449   30.6268    1.4924 H   0  0  0  0  0
   51.1588   33.4281   -0.3035 H   0  0  0  0  0
   51.6182   35.4304   -1.0433 H   0  0  0  0  0
   53.5459   36.1856    1.1884 H   0  0  0  0  0
   51.7888   36.4607    1.2648 H   0  0  0  0  0
   52.7861   37.2322    0.0283 H   0  0  0  0  0
   54.8660   34.9920   -2.6590 H   0  0  0  0  0
   53.8232   36.2785   -4.1365 H   0  0  0  0  0
   51.2784   34.9749   -3.0754 H   0  0  0  0  0
   52.4747   34.1721   -4.0681 H   0  0  0  0  0
   52.1337   35.8409   -5.8851 H   0  0  0  0  0
   50.9459   36.7069   -4.8741 H   0  0  0  0  0
   48.9611   34.6880   -6.8625 H   0  0  0  0  0
   52.9145   39.2555   -2.2005 H   0  0  0  0  0
   54.9409   39.8519   -2.8498 H   0  0  0  0  0
   55.7144   37.0703   -3.8131 H   0  0  0  0  0
   55.9787   37.6565   -2.1777 H   0  0  0  0  0
   57.2962   39.5867   -3.1264 H   0  0  0  0  0
   57.0848   38.9205   -4.7526 H   0  0  0  0  0
   57.6674   36.2879   -4.7180 H   0  0  0  0  0
   59.2137   36.0326   -3.9884 H   0  0  0  0  0
   53.7801   40.4475   -6.2525 H   0  0  0  0  0
   54.3036   42.8581   -6.5385 H   0  0  0  0  0
   53.7827   43.8722   -5.1965 H   0  0  0  0  0
   52.6582   42.7461   -5.9760 H   0  0  0  0  0
   53.2152   41.2535   -2.6599 H   0  0  0  0  0
   52.0195   41.4184   -3.9502 H   0  0  0  0  0
   52.7737   42.8463   -3.2171 H   0  0  0  0  0
   57.3472   42.3013   -3.8693 H   0  0  0  0  0
   58.2049   41.6893   -5.7958 H   0  0  0  0  0
   55.5971   41.5425   -7.3230 H   0  0  0  0  0
   56.5109   40.1682   -6.6809 H   0  0  0  0  0
   57.2069   41.2317   -7.9054 H   0  0  0  0  0
   58.3278   45.1369   -6.8737 H   0  0  0  0  0
   60.4374   44.5866   -6.9691 H   0  0  0  0  0
   59.8288   42.4382   -4.8804 H   0  0  0  0  0
   60.0363   44.1392   -4.5539 H   0  0  0  0  0
   62.3611   44.0521   -5.4498 H   0  0  0  0  0
   62.1768   42.3406   -5.8415 H   0  0  0  0  0
   61.4181   40.8440   -3.9208 H   0  0  0  0  0
   62.1575   41.2401   -2.4073 H   0  0  0  0  0
   60.5992   42.0155   -9.5301 H   0  0  0  0  0
   60.9633   43.8316  -10.6977 H   0  0  0  0  0
   58.7777   45.0489   -8.9594 H   0  0  0  0  0
   58.5631   43.9872  -10.3251 H   0  0  0  0  0
   59.9331   45.8589  -11.6526 H   0  0  0  0  0
   58.1920   45.9873  -11.3595 H   0  0  0  0  0
   59.8346   48.1009  -11.9869 H   0  0  0  0  0
   59.8946   50.3692  -11.0973 H   0  0  0  0  0
   60.0410   49.6902   -9.4593 H   0  0  0  0  0
   62.1802   48.5347  -10.2115 H   0  0  0  0  0
   62.0403   49.3438  -11.7608 H   0  0  0  0  0
   62.0986   51.5672  -10.4906 H   0  0  0  0  0
   62.4697   50.6583   -9.0264 H   0  0  0  0  0
   64.0952   50.5780  -11.6236 H   0  0  0  0  0
   64.4561   51.6388  -10.3106 H   0  0  0  0  0
   64.3604   48.6172  -10.1352 H   0  0  0  0  0
   66.8097   50.2566  -10.4972 H   0  0  0  0  0
   65.6588   47.0487   -9.0209 H   0  0  0  0  0
   63.7829   46.1499   -8.0138 H   0  0  0  0  0
   62.9455   43.4388   -8.9284 H   0  0  0  0  0
   65.3004   43.4811   -7.8848 H   0  0  0  0  0
   64.5433   44.2982   -6.5112 H   0  0  0  0  0
   65.9242   45.0423   -7.3373 H   0  0  0  0  0
   68.1008   45.8366  -10.4659 H   0  0  0  0  0
   68.0367   46.1968  -12.1970 H   0  0  0  0  0
   67.0412   44.9027  -11.5252 H   0  0  0  0  0
   64.5087   47.6130  -12.1356 H   0  0  0  0  0
   65.0884   46.0399  -12.6761 H   0  0  0  0  0
   65.9510   47.5033  -13.1464 H   0  0  0  0  0
   65.7110   50.1626   -6.6788 H   0  0  0  0  0
   66.2459   52.2483   -6.7881 H   0  0  0  0  0
   66.3097   52.1406   -9.7962 H   0  0  0  0  0
   67.6447   52.0639   -8.6744 H   0  0  0  0  0
   66.9782   54.3287   -6.8405 H   0  0  0  0  0
   67.1582   55.6784   -7.8906 H   0  0  0  0  0
   62.7442   53.1644   -6.6200 H   0  0  0  0  0
   63.1950   52.8806   -4.4677 H   0  0  0  0  0
   65.9027   51.5669   -4.8725 H   0  0  0  0  0
   64.3831   50.6656   -4.8693 H   0  0  0  0  0
   63.8656   51.5208   -2.6052 H   0  0  0  0  0
   65.3134   52.5251   -2.6186 H   0  0  0  0  0
   66.7327   50.4762   -2.8093 H   0  0  0  0  0
   65.2764   49.4623   -2.7467 H   0  0  0  0  0
   64.7879   50.6455   -0.5862 H   0  0  0  0  0
   67.5938   48.9739   -1.5050 H   0  0  0  0  0
   65.9886   50.7095    1.4292 H   0  0  0  0  0
   66.7059   49.2287    1.6738 H   0  0  0  0  0
   64.9889   56.0639   -4.7422 H   0  0  0  0  0
   62.9891   56.7332   -4.1132 H   0  0  0  0  0
   61.5691   54.0866   -4.5310 H   0  0  0  0  0
   61.9086   55.2001   -5.8582 H   0  0  0  0  0
   60.7007   57.0060   -4.6560 H   0  0  0  0  0
   60.4148   55.9291   -3.2851 H   0  0  0  0  0
   59.1016   54.3978   -4.7574 H   0  0  0  0  0
   59.4058   55.4552   -6.1387 H   0  0  0  0  0
   58.2200   57.3340   -4.9691 H   0  0  0  0  0
   57.9262   56.2822   -3.5770 H   0  0  0  0  0
   56.9632   55.8119   -6.3137 H   0  0  0  0  0
   56.0723   56.3880   -5.0772 H   0  0  0  0  0
   63.7698   55.5036   -0.7623 H   0  0  0  0  0
   64.4042   57.6180   -0.6345 H   0  0  0  0  0
   64.3182   58.1834   -3.6046 H   0  0  0  0  0
   65.6491   57.2696   -2.9056 H   0  0  0  0  0
   64.7929   59.9894   -1.8037 H   0  0  0  0  0
   67.4731   58.4898   -1.7112 H   0  0  0  0  0
   66.3436   58.6210   -0.3587 H   0  0  0  0  0
   67.1339   60.0681   -0.9845 H   0  0  0  0  0
   66.8298   59.4357   -4.0249 H   0  0  0  0  0
   66.5584   60.9983   -3.2319 H   0  0  0  0  0
   65.2788   60.2735   -4.2128 H   0  0  0  0  0
   60.8582   58.5318   -0.6678 H   0  0  0  0  0
   61.2326   58.2490    1.5215 H   0  0  0  0  0
   63.9236   56.8880    1.1925 H   0  0  0  0  0
   62.3948   56.0221    1.0275 H   0  0  0  0  0
   61.7365   56.7601    3.3114 H   0  0  0  0  0
   63.2391   57.6752    3.4637 H   0  0  0  0  0
   64.5586   55.5650    3.1943 H   0  0  0  0  0
   63.0637   54.6450    3.0156 H   0  0  0  0  0
   63.8675   56.2430    5.5043 H   0  0  0  0  0
   63.9347   54.4813    5.3239 H   0  0  0  0  0
   62.3686   55.3096    5.3227 H   0  0  0  0  0
   63.0623   61.4058    1.2691 H   0  0  0  0  0
   60.9957   62.1191    1.7145 H   0  0  0  0  0
   59.6711   59.4498    1.1336 H   0  0  0  0  0
   60.0211   60.6644   -0.0828 H   0  0  0  0  0
   58.6265   62.3230    1.2327 H   0  0  0  0  0
   58.3044   61.0751    2.4332 H   0  0  0  0  0
   55.8474   59.7484    0.5437 H   0  0  0  0  0
   61.8525   60.5856    4.9899 H   0  0  0  0  0
   63.9825   61.8741    5.8594 H   0  0  0  0  0
   64.1553   63.5188    5.2969 H   0  0  0  0  0
   64.5549   62.1532    4.2361 H   0  0  0  0  0
   61.4567   63.6827    2.8440 H   0  0  0  0  0
   63.0969   63.1157    2.4498 H   0  0  0  0  0
   62.8417   64.4539    3.5625 H   0  0  0  0  0
   60.3940   63.0481    7.1169 H   0  0  0  0  0
   61.3116   62.0588    8.6326 H   0  0  0  0  0
   61.1684   59.9637    7.2312 H   0  0  0  0  0
   64.2100   59.8941    7.6103 H   0  0  0  0  0
   63.3940   59.9526    6.0444 H   0  0  0  0  0
   63.1717   58.5813    7.0673 H   0  0  0  0  0
   61.0309   60.1931    9.6733 H   0  0  0  0  0
   62.7836   60.2332    9.8238 H   0  0  0  0  0
   61.2140   57.8284    8.7668 H   0  0  0  0  0
   61.7347   58.0506   10.4464 H   0  0  0  0  0
   62.9452   57.8737    9.1810 H   0  0  0  0  0
   62.0430   64.2845    8.8560 H   0  0  0  0  0
   63.7431   64.4452    9.1313 H   0  0  0  0  0
  1  2  1  0  0  0
  1275  1  0  0  0
  1276  1  0  0  0
  1277  1  0  0  0
  2  3  1  0  0  0
  2278  1  0  0  0
  2279  1  0  0  0
  3  4  1  0  0  0
  3280  1  0  0  0
  3281  1  0  0  0
  4  5  1  0  0  0
  4282  1  0  0  0
  4283  1  0  0  0
  5  6  1  0  0  0
  5284  1  0  0  0
  5285  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8286  1  0  0  0
  9 14  1  0  0  0
  9 10  1  0  0  0
  9287  1  0  0  0
 10 11  1  0  0  0
 10288  1  0  0  0
 10289  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13290  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16291  1  0  0  0
 17 22  1  0  0  0
 17 18  1  0  0  0
 17292  1  0  0  0
 18 19  1  0  0  0
 18293  1  0  0  0
 18294  1  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 19295  1  0  0  0
 20296  1  0  0  0
 20297  1  0  0  0
 20298  1  0  0  0
 21299  1  0  0  0
 21300  1  0  0  0
 21301  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 25  1  0  0  0
 24302  1  0  0  0
 25 29  1  0  0  0
 25 26  1  0  0  0
 25303  1  0  0  0
 26 28  1  0  0  0
 26 27  1  0  0  0
 26304  1  0  0  0
 27305  1  0  0  0
 27306  1  0  0  0
 27307  1  0  0  0
 28308  1  0  0  0
 29 31  1  0  0  0
 29 30  2  0  0  0
 31 32  1  0  0  0
 31309  1  0  0  0
 32 40  1  0  0  0
 32 33  1  0  0  0
 32310  1  0  0  0
 33 34  1  0  0  0
 33311  1  0  0  0
 33312  1  0  0  0
 34 35  2  0  0  0
 34 39  1  0  0  0
 35 36  1  0  0  0
 35313  1  0  0  0
 36 37  2  0  0  0
 36314  1  0  0  0
 37 38  1  0  0  0
 37315  1  0  0  0
 38 39  2  0  0  0
 38316  1  0  0  0
 39317  1  0  0  0
 40 42  1  0  0  0
 40 41  2  0  0  0
 42 43  1  0  0  0
 42318  1  0  0  0
 43 50  1  0  0  0
 43 44  1  0  0  0
 43319  1  0  0  0
 44 45  1  0  0  0
 44320  1  0  0  0
 44321  1  0  0  0
 45 46  2  0  0  0
 45 49  1  0  0  0
 46 47  1  0  0  0
 46322  1  0  0  0
 47 48  2  0  0  0
 48 49  1  0  0  0
 48323  1  0  0  0
 49324  1  0  0  0
 50 52  1  0  0  0
 50 51  2  0  0  0
 52 53  1  0  0  0
 52325  1  0  0  0
 53 58  1  0  0  0
 53 54  1  0  0  0
 53326  1  0  0  0
 54 55  1  0  0  0
 54327  1  0  0  0
 54328  1  0  0  0
 55 57  1  0  0  0
 55 56  1  0  0  0
 55329  1  0  0  0
 56330  1  0  0  0
 56331  1  0  0  0
 56332  1  0  0  0
 57333  1  0  0  0
 57334  1  0  0  0
 57335  1  0  0  0
 58 60  1  0  0  0
 58 59  2  0  0  0
 60 61  1  0  0  0
 60336  1  0  0  0
 61 66  1  0  0  0
 61 62  1  0  0  0
 61337  1  0  0  0
 62 63  1  0  0  0
 62338  1  0  0  0
 62339  1  0  0  0
 63 65  1  0  0  0
 63 64  1  0  0  0
 63340  1  0  0  0
 64341  1  0  0  0
 64342  1  0  0  0
 64343  1  0  0  0
 65344  1  0  0  0
 65345  1  0  0  0
 65346  1  0  0  0
 66 68  1  0  0  0
 66 67  2  0  0  0
 68 69  1  0  0  0
 68347  1  0  0  0
 69 77  1  0  0  0
 69 70  1  0  0  0
 69348  1  0  0  0
 70 71  1  0  0  0
 70349  1  0  0  0
 70350  1  0  0  0
 71 72  1  0  0  0
 71351  1  0  0  0
 71352  1  0  0  0
 72 73  1  0  0  0
 72353  1  0  0  0
 72354  1  0  0  0
 73 74  1  0  0  0
 73355  1  0  0  0
 74 76  1  0  0  0
 74 75  2  0  0  0
 75356  1  0  0  0
 76357  1  0  0  0
 76358  1  0  0  0
 77 79  1  0  0  0
 77 78  2  0  0  0
 79 80  1  0  0  0
 79359  1  0  0  0
 80 86  1  0  0  0
 80 81  1  0  0  0
 80360  1  0  0  0
 81 82  1  0  0  0
 81361  1  0  0  0
 81362  1  0  0  0
 82 83  1  0  0  0
 82363  1  0  0  0
 82364  1  0  0  0
 83 85  1  0  0  0
 83 84  2  0  0  0
 85365  1  0  0  0
 86 88  1  0  0  0
 86 87  2  0  0  0
 88 89  1  0  0  0
 88366  1  0  0  0
 89 93  1  0  0  0
 89 90  1  0  0  0
 89367  1  0  0  0
 90 92  1  0  0  0
 90 91  1  0  0  0
 90368  1  0  0  0
 91369  1  0  0  0
 91370  1  0  0  0
 91371  1  0  0  0
 92372  1  0  0  0
 92373  1  0  0  0
 92374  1  0  0  0
 93 95  1  0  0  0
 93 94  2  0  0  0
 95 96  1  0  0  0
 95375  1  0  0  0
 96101  1  0  0  0
 96 97  1  0  0  0
 96376  1  0  0  0
 97 98  1  0  0  0
 97377  1  0  0  0
 97378  1  0  0  0
 98100  1  0  0  0
 98 99  1  0  0  0
 98379  1  0  0  0
 99380  1  0  0  0
 99381  1  0  0  0
 99382  1  0  0  0
100383  1  0  0  0
100384  1  0  0  0
100385  1  0  0  0
101103  1  0  0  0
101102  2  0  0  0
103104  1  0  0  0
103386  1  0  0  0
104110  1  0  0  0
104105  1  0  0  0
104387  1  0  0  0
105106  1  0  0  0
105388  1  0  0  0
105389  1  0  0  0
106107  1  0  0  0
106390  1  0  0  0
106391  1  0  0  0
107109  1  0  0  0
107108  2  0  0  0
109392  1  0  0  0
110112  1  0  0  0
110111  2  0  0  0
112113  1  0  0  0
112393  1  0  0  0
113118  1  0  0  0
113114  1  0  0  0
113394  1  0  0  0
114115  1  0  0  0
114395  1  0  0  0
114396  1  0  0  0
115116  1  0  0  0
115397  1  0  0  0
115398  1  0  0  0
116117  1  0  0  0
116399  1  0  0  0
116400  1  0  0  0
117401  1  0  0  0
117402  1  0  0  0
117403  1  0  0  0
118120  1  0  0  0
118119  2  0  0  0
120121  1  0  0  0
120404  1  0  0  0
121123  1  0  0  0
121122  1  0  0  0
121405  1  0  0  0
122406  1  0  0  0
122407  1  0  0  0
122408  1  0  0  0
123125  1  0  0  0
123124  2  0  0  0
125126  1  0  0  0
125409  1  0  0  0
126134  1  0  0  0
126127  1  0  0  0
126410  1  0  0  0
127128  1  0  0  0
127411  1  0  0  0
127412  1  0  0  0
128129  1  0  0  0
128413  1  0  0  0
128414  1  0  0  0
129130  1  0  0  0
129415  1  0  0  0
129416  1  0  0  0
130131  1  0  0  0
130417  1  0  0  0
131133  1  0  0  0
131132  2  0  0  0
132418  1  0  0  0
133419  1  0  0  0
133420  1  0  0  0
134136  1  0  0  0
134135  2  0  0  0
136137  1  0  0  0
136421  1  0  0  0
137139  1  0  0  0
137138  1  0  0  0
137422  1  0  0  0
138423  1  0  0  0
138424  1  0  0  0
138425  1  0  0  0
139141  1  0  0  0
139140  2  0  0  0
141142  1  0  0  0
141426  1  0  0  0
142148  1  0  0  0
142143  1  0  0  0
142427  1  0  0  0
143144  1  0  0  0
143428  1  0  0  0
143429  1  0  0  0
144145  1  0  0  0
144430  1  0  0  0
144431  1  0  0  0
145147  1  0  0  0
145146  2  0  0  0
147432  1  0  0  0
148150  1  0  0  0
148149  2  0  0  0
150151  1  0  0  0
150433  1  0  0  0
151157  1  0  0  0
151152  1  0  0  0
151434  1  0  0  0
152153  1  0  0  0
152435  1  0  0  0
152436  1  0  0  0
153154  1  0  0  0
153437  1  0  0  0
153438  1  0  0  0
154156  1  0  0  0
154155  2  0  0  0
156439  1  0  0  0
156440  1  0  0  0
157159  1  0  0  0
157158  2  0  0  0
159160  1  0  0  0
159441  1  0  0  0
160163  1  0  0  0
160162  1  0  0  0
160161  1  0  0  0
161442  1  0  0  0
161443  1  0  0  0
161444  1  0  0  0
162445  1  0  0  0
162446  1  0  0  0
162447  1  0  0  0
163165  1  0  0  0
163164  2  0  0  0
165166  1  0  0  0
165448  1  0  0  0
166168  1  0  0  0
166167  1  0  0  0
166449  1  0  0  0
167450  1  0  0  0
167451  1  0  0  0
167452  1  0  0  0
168170  1  0  0  0
168169  2  0  0  0
170171  1  0  0  0
170453  1  0  0  0
171177  1  0  0  0
171172  1  0  0  0
171454  1  0  0  0
172173  1  0  0  0
172455  1  0  0  0
172456  1  0  0  0
173174  1  0  0  0
173457  1  0  0  0
173458  1  0  0  0
174176  1  0  0  0
174175  2  0  0  0
176459  1  0  0  0
176460  1  0  0  0
177179  1  0  0  0
177178  2  0  0  0
179180  1  0  0  0
179461  1  0  0  0
180200  1  0  0  0
180181  1  0  0  0
180462  1  0  0  0
181182  1  0  0  0
181463  1  0  0  0
181464  1  0  0  0
182183  1  0  0  0
182465  1  0  0  0
182466  1  0  0  0
183185  1  0  0  0
183184  2  0  0  0
185186  1  0  0  0
185467  1  0  0  0
186187  1  0  0  0
186468  1  0  0  0
186469  1  0  0  0
187188  1  0  0  0
187470  1  0  0  0
187471  1  0  0  0
188189  1  0  0  0
188472  1  0  0  0
188473  1  0  0  0
189190  1  0  0  0
189474  1  0  0  0
189475  1  0  0  0
190191  1  0  0  0
190205  1  0  0  0
190476  1  0  0  0
191192  1  0  0  0
191477  1  0  0  0
192194  1  0  0  0
192193  2  0  0  0
194195  1  0  0  0
194204  1  0  0  0
194203  1  0  0  0
195196  1  0  0  0
195478  1  0  0  0
196198  1  0  0  0
196197  2  0  0  0
198199  1  0  0  0
198202  1  0  0  0
198479  1  0  0  0
199200  1  0  0  0
199480  1  0  0  0
200201  2  0  0  0
202481  1  0  0  0
202482  1  0  0  0
202483  1  0  0  0
203484  1  0  0  0
203485  1  0  0  0
203486  1  0  0  0
204487  1  0  0  0
204488  1  0  0  0
204489  1  0  0  0
205207  1  0  0  0
205206  2  0  0  0
207208  1  0  0  0
207490  1  0  0  0
208213  1  0  0  0
208209  1  0  0  0
208491  1  0  0  0
209210  1  0  0  0
209492  1  0  0  0
209493  1  0  0  0
210212  1  0  0  0
210211  2  0  0  0
212494  1  0  0  0
212495  1  0  0  0
213215  1  0  0  0
213214  2  0  0  0
215216  1  0  0  0
215496  1  0  0  0
216224  1  0  0  0
216217  1  0  0  0
216497  1  0  0  0
217218  1  0  0  0
217498  1  0  0  0
217499  1  0  0  0
218219  1  0  0  0
218500  1  0  0  0
218501  1  0  0  0
219220  1  0  0  0
219502  1  0  0  0
219503  1  0  0  0
220221  1  0  0  0
220504  1  0  0  0
221223  1  0  0  0
221222  2  0  0  0
222505  1  0  0  0
223506  1  0  0  0
223507  1  0  0  0
224226  1  0  0  0
224225  2  0  0  0
226227  1  0  0  0
226508  1  0  0  0
227233  1  0  0  0
227228  1  0  0  0
227509  1  0  0  0
228229  1  0  0  0
228510  1  0  0  0
228511  1  0  0  0
229230  1  0  0  0
229512  1  0  0  0
229513  1  0  0  0
230231  1  0  0  0
230514  1  0  0  0
230515  1  0  0  0
231232  1  0  0  0
231516  1  0  0  0
231517  1  0  0  0
232518  1  0  0  0
232519  1  0  0  0
233235  1  0  0  0
233234  2  0  0  0
235236  1  0  0  0
235520  1  0  0  0
236241  1  0  0  0
236237  1  0  0  0
236521  1  0  0  0
237238  1  0  0  0
237522  1  0  0  0
237523  1  0  0  0
238240  1  0  0  0
238239  1  0  0  0
238524  1  0  0  0
239525  1  0  0  0
239526  1  0  0  0
239527  1  0  0  0
240528  1  0  0  0
240529  1  0  0  0
240530  1  0  0  0
241243  1  0  0  0
241242  2  0  0  0
243244  1  0  0  0
243531  1  0  0  0
244249  1  0  0  0
244245  1  0  0  0
244532  1  0  0  0
245246  1  0  0  0
245533  1  0  0  0
245534  1  0  0  0
246247  1  0  0  0
246535  1  0  0  0
246536  1  0  0  0
247248  1  0  0  0
247537  1  0  0  0
247538  1  0  0  0
248539  1  0  0  0
248540  1  0  0  0
248541  1  0  0  0
249251  1  0  0  0
249250  2  0  0  0
251252  1  0  0  0
251542  1  0  0  0
252258  1  0  0  0
252253  1  0  0  0
252543  1  0  0  0
253254  1  0  0  0
253544  1  0  0  0
253545  1  0  0  0
254255  1  0  0  0
254546  1  0  0  0
254547  1  0  0  0
255257  1  0  0  0
255256  2  0  0  0
257548  1  0  0  0
258260  1  0  0  0
258259  2  0  0  0
260261  1  0  0  0
260549  1  0  0  0
261264  1  0  0  0
261263  1  0  0  0
261262  1  0  0  0
262550  1  0  0  0
262551  1  0  0  0
262552  1  0  0  0
263553  1  0  0  0
263554  1  0  0  0
263555  1  0  0  0
264266  1  0  0  0
264265  2  0  0  0
266267  1  0  0  0
266556  1  0  0  0
267272  1  0  0  0
267268  1  0  0  0
267557  1  0  0  0
268270  1  0  0  0
268269  1  0  0  0
268558  1  0  0  0
269559  1  0  0  0
269560  1  0  0  0
269561  1  0  0  0
270271  1  0  0  0
270562  1  0  0  0
270563  1  0  0  0
271564  1  0  0  0
271565  1  0  0  0
271566  1  0  0  0
272274  1  0  0  0
272273  2  0  0  0
274567  1  0  0  0
274568  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3774395

>  <PubChem CID>
127032315

>  <Formula>
C175H294N50O49

>  <Molecular Weight>
3882.578000

>  <IUPAC Name>


>  <XlogP>
-6.3

>  <Hydrogen Bond Donors>
55

>  <Hydrogen Bond Acceptors>
54

>  <Canonical SMILES>
CCCCCC(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CN=CN2)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCCC)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC3CCC(=O)NCCCCC(NC(=O)C(NC(=O)C(NC3=O)C)(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCC)C(=O)NC(CCC(=O)O)C(=O)NC(C)(C)C(=O)NC(C(C)CC)C(=O)N

>  <Isomeric SMILES>
CCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(CCCC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]3CCC(=O)NCCCC[C@H](NC(=O)C(NC(=O)[C@@H](NC3=O)C)(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NC(CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)NC(C)(C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N

>  <InChI Std. ID>
InChI=1S/C175H294N50O49/c1-29-33-37-56-128(231)197-123(84-133(240)241)161(266)214-119(80-91(13)14)162(267)221-136(98(22)226)166(271)218-120(81-99-47-38-36-39-48-99)158(263)215-121(82-100-85-187-86-192-100)159(264)213-117(78-89(9)10)157(262)212-116(77-88(7)8)155(260)204-106(55-46-75-191-172(185)186)147(252)207-112(62-69-131(236)237)153(258)220-134(92(15)16)165(270)217-118(79-90(11)12)156(261)208-111(61-68-130(234)235)152(257)201-101(49-34-30-2)142(247)193-94(18)138(243)198-104(53-44-73-189-170(181)182)143(248)194-95(19)139(244)200-110(60-67-129(232)233)151(256)209-113(58-65-125(178)228)163(268)224-173(23,24)167(272)196-96(20)140(245)199-108(57-64-124(177)227)150(255)206-109-59-66-127(230)188-72-43-41-52-107(219-168(273)174(25,26)223-141(246)97(21)195-144(109)249)149(254)216-122(83-126(179)229)160(265)205-105(54-45-74-190-171(183)184)146(251)202-103(51-40-42-71-176)148(253)211-115(76-87(5)6)154(259)203-102(50-35-31-3)145(250)210-114(63-70-132(238)239)164(269)225-175(27,28)169(274)222-135(137(180)242)93(17)32-4/h36,38-39,47-48,85-98,101-123,134-136,226H,29-35,37,40-46,49-84,176H2,1-28H3,(H2,177,227)(H2,178,228)(H2,179,229)(H2,180,242)(H,187,192)(H,188,230)(H,193,247)(H,194,248)(H,195,249)(H,196,272)(H,197,231)(H,198,243)(H,199,245)(H,200,244)(H,201,257)(H,202,251)(H,203,259)(H,204,260)(H,205,265)(H,206,255)(H,207,252)(H,208,261)(H,209,256)(H,210,250)(H,211,253)(H,212,262)(H,213,264)(H,214,266)(H,215,263)(H,216,254)(H,217,270)(H,218,271)(H,219,273)(H,220,258)(H,221,267)(H,222,274)(H,223,246)(H,224,268)(H,225,269)(H,232,233)(H,234,235)(H,236,237)(H,238,239)(H,240,241)(H4,181,182,189)(H4,183,184,190)(H4,185,186,191)/t93-,94-,95-,96-,97-,98+,101?,102?,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120+,121-,122-,123-,134-,135-,136-/m0/s1

>  <InChI Key>
URAOTUAUNTXFLY-KZWIZSPCSA-N

